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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
C3H4 | cyclopropene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.509 | 1975Sti/Lau:1890 | 1 | 2 | |||
rCC | 1.296 | 1975Sti/Lau:1890 | 2 | 3 | |||
rCH | 1.072 | 1975Sti/Lau:1890 | ethylenic | 2 | 4 | ||
rCH | 1.088 | 1975Sti/Lau:1890 | methylenic | 1 | 6 | ||
aCCC | 50.8 | 1975Sti/Lau:1890 | 2 | 1 | 3 | ||
aHCC | 149.9 | 1975Sti/Lau:1890 | 2 | 3 | 5 | ||
aHCH | 114.6 | 1975Sti/Lau:1890 | 6 | 1 | 7 | ||
aCCC | 64.6 | 1975Sti/Lau:1890 | by symmetry | 1 | 2 | 3 | |
aHCC | 145.6 | 1975Sti/Lau:1890 | by symmetry | 1 | 3 | 5 | |
aHCC | 119.2 | 1975Sti/Lau:1890 | by symmetry | 2 | 1 | 6 |
squib | reference |
---|---|
1975Sti/Lau:1890 | Stigliani, Laurie, Li, Microwave spectrum and structure of cyclopropene, J. of Chem. Phys, Vol. 62, #5, pgs. 1890-1892 |